6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile

C14H14N4 — CID 115142979

IUPAC6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCc1ccc(CN(C)c2cc(C#N)ncn2)cc1
InChIInChI=1S/C14H14N4/c1-11-3-5-12(6-4-11)9-18(2)14-7-13(8-15)16-10-17-14/h3-7,10H,9H2,1-2H3
InChIKeyJTMAOXYBQWIALI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.29
Rot. Bonds3

About 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile

6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile (PubChem CID 115142979) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
PubChem CID115142979
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCc1ccc(CN(C)c2cc(C#N)ncn2)cc1
InChIInChI=1S/C14H14N4/c1-11-3-5-12(6-4-11)9-18(2)14-7-13(8-15)16-10-17-14/h3-7,10H,9H2,1-2H3
InChIKeyJTMAOXYBQWIALI-UHFFFAOYSA-N
XLogP2.29
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 115143006
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile (CID 115142979) is 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile is Cc1ccc(CN(C)c2cc(C#N)ncn2)cc1.
What is the InChIKey of 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is JTMAOXYBQWIALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-11-3-5-12(6-4-11)9-18(2)14-7-13(8-15)16-10-17-14/h3-7,10H,9H2,1-2H3.
What are the key properties of 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile?
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).